(4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C17H15Cl2FN2OS — CID 98066978

IUPAC(4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1nsc(Cl)c1Cl)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H15Cl2FN2OS/c18-14-15(21-24-16(14)19)17(23)22-12-5-6-13(22)8-10(7-12)9-1-3-11(20)4-2-9/h1-4,10,12-13H,5-8H2/t12-,13-/m0/s1
InChIKeyCZMAYDAGTWEQMX-STQMWFEESA-N
MW385.29 g/mol
LogP5.14
Rot. Bonds2

About (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 98066978) has the molecular formula C17H15Cl2FN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID98066978
Molecular FormulaC17H15Cl2FN2OS
Molecular Weight385.29 g/mol
Exact Mass384.03
IUPAC Name(4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1nsc(Cl)c1Cl)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H15Cl2FN2OS/c18-14-15(21-24-16(14)19)17(23)22-12-5-6-13(22)8-10(7-12)9-1-3-11(20)4-2-9/h1-4,10,12-13H,5-8H2/t12-,13-/m0/s1
InChIKeyCZMAYDAGTWEQMX-STQMWFEESA-N
XLogP5.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Related Compounds

(3,5-difluorophenyl)-[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98066971
[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 45273886
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 66996834
(4-amino-3,5-dichlorophenyl)-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 75164100
[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 98067046
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 98067092
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
CID 16674981
(4,5-dichloro-1,2-thiazol-3-yl)-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 20694473
(4-amino-5-chloro-2-methoxyphenyl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98067118
3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one
CID 98067126
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
CID 46191517
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone
CID 98066976

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 98066978) is (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1nsc(Cl)c1Cl)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2.
What is the InChIKey of (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is CZMAYDAGTWEQMX-STQMWFEESA-N. The full InChI is InChI=1S/C17H15Cl2FN2OS/c18-14-15(21-24-16(14)19)17(23)22-12-5-6-13(22)8-10(7-12)9-1-3-11(20)4-2-9/h1-4,10,12-13H,5-8H2/t12-,13-/m0/s1.
What are the key properties of (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 385.29 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1,2-thiazol-3-yl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 98066978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).